Understanding the hydration dynamics of nucleic acids is crucial for elucidating their structural stability and functional roles. Building upon our previous work on protein [1,2,3] and DNA hydration [4,5,6], we recently extended our analysis to include RNA, providing a comparative study of hydration patterns between the two nucleic acid types.
Expanding our dataset to encompass RNA crystal structures, we have conducted a detailed examination of hydration around selected conformational classes common for both DNA and RNA. By leveraging a multi-step approach, we analyzed hydration patterns around dinucleotide fragments extracted from a non-redundant set of high resolution crystallographic structures. Our dataset includes 2,727 DNA chains and now incorporates 206 RNA chains, allowing for a comprehensive investigation.
Utilizing Fourier averaging techniques, we computed water probability density distributions around dinucleotides, discerning hydration sites and revealing the nuanced interplay between water molecules and nucleic acid structure. By comparing hydration profiles between DNA and RNA, we aim to elucidate similarities and differences in their hydration landscapes.
This poster presentation will showcase our comparative analysis of DNA and RNA hydration, highlighting key findings and discussing the implications for understanding nucleic acid hydration dynamics. Our results offer valuable insights into the role of hydration in modulating nucleic acid structure and function.
Visitors to the poster can access our data and visualizations online at watlas.datmos.org/watna, facilitating further exploration and analysis of nucleic acid hydration patterns.